CID 216754

Gamma-oxo-4-((2-(phenylmethyl)phenyl)methyl)-1-piperazinebutanoic acid maleate hemihydrate

Structural Information

Molecular Formula
C22H26N2O3
SMILES
C1CN(C(=O)CN1CC2=CC=CC=C2CC3=CC=CC=C3)CCCC(=O)O
InChI
InChI=1S/C22H26N2O3/c25-21-17-23(13-14-24(21)12-6-11-22(26)27)16-20-10-5-4-9-19(20)15-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,26,27)
InChIKey
BZANHQGBGHGYCN-UHFFFAOYSA-N
Compound name
4-[4-[(2-benzylphenyl)methyl]-2-oxopiperazin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 191.4
[M+Na]+ 389.18356 204.2
[M+NH4]+ 384.22816 197.2
[M+K]+ 405.15750 196.4
[M-H]- 365.18706 195.2
[M+Na-2H]- 387.16901 198.3
[M]+ 366.19379 194.1
[M]- 366.19489 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.